methyl (2S)-3-methyl-2-[[(2S)-3-methyl-2-[[5-[methyl-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-2-(phenoxymethyl)phenyl]carbonylamino]pentanoyl]amino]butanoate

Systemtic Name: methyl (2S)-3-methyl-2-[[(2S)-3-methyl-2-[[5-[methyl-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-2-(phenoxymethyl)phenyl]carbonylamino]pentanoyl]amino]butanoate Openeye Name: methyl (2S)-2-[[(2S)-2-[[5-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-hydroxy-propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]-methyl-amino]-2-(phenoxymethyl)benzoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2S)-2-[[[5-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]-methylamino]-2-(phenoxymethyl)phenyl]-oxomethyl]amino]-3-methyl-1-oxopentyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-[[5-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]-methylamino]-2-(phenoxymethyl)benzoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2S)-2-[[5-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-hydroxy-propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]-methyl-amino]-2-(phenoxymethyl)benzoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butyric acid methyl ester Formula: C50H69N7O12 MolecularWeight: 960.12256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)C)C(=O)OC)NC(=O)C1=C(C=CC(=C1)N(C)C(=O)C(CC2=CC=CC=C2)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CO)NC(=O)OC(C)(C)C)COC3=CC=CC=C3

Isomeric SMILES

CCC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)C1=C(C=CC(=C1)N(C)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)COC3=CC=CC=C3

InChI

InChI=1S/C50H69N7O12/c1-12-30(4)41(46(63)55-40(29(2)3)48(65)67-11)56-44(61)37-26-35(24-23-34(37)28-68-36-21-17-14-18-22-36)57(10)47(64)38(25-33-19-15-13-16-20-33)53-43(60)32(6)51-42(59)31(5)52-45(62)39(27-58)54-49(66)69-50(7,8)9/h13-24,26,29-32,38-41,58H,12,25,27-28H2,1-11H3,(H,51,59)(H,52,62)(H,53,60)(H,54,66)(H,55,63)(H,56,61)/t30?,31-,32-,38-,39-,40-,41-/m0/s1